4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

C8H10Cl2N2O2 — CID 115870820

IUPAC4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(4-13)3-12-8(14)7(10)6(9)2-11-12/h2,5,13H,3-4H2,1H3
InChIKeyQFMWYNVSOOKKQA-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.18
Rot. Bonds3

About 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 115870820) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID115870820
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(4-13)3-12-8(14)7(10)6(9)2-11-12/h2,5,13H,3-4H2,1H3
InChIKeyQFMWYNVSOOKKQA-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(3'-hydroxypropyl)-3(2H)-pyridazinone
CID 23039514
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
4-chloro-5-hydroxy-2-(3'-hydroxypropyl)-3(2H)-pyridazinone
CID 54731250
4-Chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
CID 67364897
4,5-Dichloro-2-(1-hydroxyethyl)pyridazin-3-one
CID 67870346
4-Chloro-2-(3-hydroxypropyl)pyridazin-3-one
CID 174413226
4,5-Dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
CID 177361694
4,5-Dichloro-2-(4-hydroxybutyl)pyridazin-3-one
CID 10105556
4,5-Dichloro-2-(2,3-dihydroxypropyl)pyridazin-3-one
CID 15160209
4,5-Dichloro-2-(3-methoxypropyl)pyridazin-3(2H)-one
CID 52634722
4,5-Dichloro-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 111537020

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 115870820) is 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CC(CO)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is QFMWYNVSOOKKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-5(4-13)3-12-8(14)7(10)6(9)2-11-12/h2,5,13H,3-4H2,1H3.
What are the key properties of 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 237.09 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 115870820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).